5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid

C15H12N2O3S — CID 80724661

IUPAC5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C15H12N2O3S/c1-9-10(6-13(21-9)15(19)20)8-17-12-5-3-2-4-11(12)16-7-14(17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeySUCFDCQDYXSCRJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.51
Rot. Bonds3

About 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid

5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 80724661) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID80724661
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C15H12N2O3S/c1-9-10(6-13(21-9)15(19)20)8-17-12-5-3-2-4-11(12)16-7-14(17)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeySUCFDCQDYXSCRJ-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid (CID 80724661) is 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is SUCFDCQDYXSCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-9-10(6-13(21-9)15(19)20)8-17-12-5-3-2-4-11(12)16-7-14(17)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid?
5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 80724661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).